[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C20H19F2NO6S MolecularWeight: 439.429766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC(F)F

InChI

InChI=1S/C20H19F2NO6S/c1-27-16-11-13(7-8-15(16)29-20(21)22)19(26)28-12-18(25)23-17(24)9-10-30-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,23,24,25)